chempirical

2,4,6-Trimethylbenzyl alcohol

C10H14OCAS 4170-90-5150.22 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Melting point
88–89 °C
Boiling point
140–141 °C (at 15 Torr)
logP
2.10Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
4170-90-5
SMILES
Cc1cc(C)c(CO)c(C)c1
InChIKey
LODDFDHPSIYCTK-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3

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Names and synonyms

6 names
  • Benzenemethanol, 2,4,6-trimethyl-
  • Benzyl alcohol, 2,4,6-trimethyl-
  • 2,4,6-Trimethylbenzenemethanol
  • Mesitylcarbinol
  • Mesitylmethanol
  • (2,4,6-Trimethylphenyl)methanol

Work with 2,4,6-Trimethylbenzyl alcohol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Trimethylbenzyl chloride1585-16-654 % similar 2,4,6-Trimethylbenzenemethanethiol21411-42-754 % similar 2,4-Dimethylbenzyl alcohol16308-92-254 % similar 3,5-Dimethylbenzyl alcohol27129-87-952 % similar 2,4,6-Trimethylbenzeneacetonitrile34688-71-648 % similar 2,5-Dimethylbenzyl alcohol53957-33-848 % similar Mesitol527-60-648 % similar 2,6-Bis(hydroxymethyl)-P-cresol91-04-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 (S)-Verbenone1196-01-6 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8 1-Methoxy-2,3,5-trimethylbenzene20469-61-8

Elsewhere

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